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{
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"results": [
{
"id": "jvasp-98484",
"created_at": "2022-09-04T14:36:01.755751Z",
"updated_at": "2022-09-04T14:36:01.755775Z",
"structure_string": "Tb4 Mn4 O12\n1.0\n5.286690 -0.000000 0.000000\n-0.000000 5.647393 0.000000\n0.000000 0.000000 7.587418\nTb Mn O\n4 4 12\ndirect\n0.981541 0.072210 0.250001 Tb\n0.518458 0.572210 0.250001 Tb\n0.018457 0.927789 0.750001 Tb\n0.481541 0.427789 0.750001 Tb\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.395210 0.967506 0.250001 O\n0.895211 0.532494 0.750001 O\n0.696910 0.306513 0.446672 O\n0.696910 0.306513 0.053328 O\n0.196910 0.193487 0.946672 O\n0.803091 0.806513 0.446672 O\n0.303090 0.693486 0.553328 O\n0.303090 0.693486 0.946672 O\n0.803091 0.806513 0.053328 O\n0.196910 0.193487 0.553328 O\n0.104790 0.467506 0.250001 O\n0.604790 0.032494 0.750001 O\n",
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{
"id": "jvasp-66343",
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"updated_at": "2022-09-04T14:36:02.195445Z",
"structure_string": "Ba4 Sc1 Mo1\n1.0\n0.000000 4.838218 4.838218\n4.838218 0.000000 4.838218\n4.838218 4.838218 -0.000000\nBa Sc Mo\n4 1 1\ndirect\n0.127360 0.624214 0.624214 Ba\n0.624214 0.624214 0.624214 Ba\n0.624214 0.127360 0.624214 Ba\n0.624214 0.624214 0.127360 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Mo\n",
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"spacegroup": 216
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{
"id": "jvasp-15051",
"created_at": "2022-09-04T14:36:46.632367Z",
"updated_at": "2022-09-04T14:36:46.632381Z",
"structure_string": "Ba4 As2\n1.0\n4.818316 0.000000 -1.365474\n-0.386965 4.802751 -1.365474\n0.145645 0.157851 9.697809\nBa As\n4 2\ndirect\n0.315964 0.315965 0.631930 Ba\n0.684035 0.684035 0.368070 Ba\n0.500000 -0.000000 0.000000 Ba\n-0.000001 0.500000 0.000000 Ba\n0.133015 0.133015 0.266030 As\n0.866984 0.866985 0.733970 As\n",
"nsites": 6,
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"elements": [
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"density": 5.125781866246464,
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"volume": 226.49576422775672,
"volume_molar": 22.733156228722063,
"formula_full": "Ba4 As2",
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"spacegroup": 139
},
{
"id": "jvasp-23973",
"created_at": "2022-09-04T14:37:39.854786Z",
"updated_at": "2022-09-04T14:37:39.854805Z",
"structure_string": "H16 O4 F8\n1.0\n0.000000 3.381931 0.024882\n6.022140 0.000000 0.000000\n0.000000 -1.418091 -11.130511\nH O F\n16 4 8\ndirect\n0.176995 0.911894 0.308246 H\n0.444238 0.864616 0.120435 H\n0.555762 0.364616 0.379565 H\n0.444238 0.635384 0.620435 H\n0.243449 0.689940 0.950829 H\n0.756551 0.189940 0.549171 H\n0.756551 0.310060 0.049171 H\n0.243449 0.810060 0.450829 H\n0.555763 0.135384 0.879565 H\n0.103016 0.302430 0.653428 H\n0.103016 0.197570 0.153428 H\n0.896984 0.697570 0.346572 H\n0.176995 0.588106 0.808246 H\n0.823005 0.088106 0.691754 H\n0.823005 0.411894 0.191754 H\n0.896984 0.802430 0.846572 H\n0.045054 0.658754 0.876414 O\n0.954946 0.158754 0.623586 O\n0.045054 0.841246 0.376414 O\n0.954946 0.341246 0.123587 O\n0.451013 0.239641 0.941963 F\n0.326910 0.002412 0.199839 F\n0.673090 0.502412 0.300161 F\n0.673090 -0.002412 0.800161 F\n0.326910 0.497588 0.699839 F\n0.548987 0.760359 0.058037 F\n0.451013 0.260359 0.441963 F\n0.548987 0.739641 0.558037 F\n",
"nsites": 28,
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"volume": 226.47663794145245,
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"formula_full": "H16 O4 F8",
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-11200",
"created_at": "2022-09-04T14:37:09.275521Z",
"updated_at": "2022-09-04T14:37:09.275541Z",
"structure_string": "Na4 Pt2 Se4\n1.0\n3.737554 0.000000 0.000000\n-1.868777 5.365286 0.000000\n0.000000 0.000000 11.293748\nNa Pt Se\n4 2 4\ndirect\n0.438337 0.876674 0.868214 Na\n0.561662 0.123326 0.368214 Na\n0.827091 0.654186 0.598104 Na\n0.172907 0.345815 0.098104 Na\n0.138069 0.276138 0.751936 Pt\n0.861930 0.723863 0.251936 Pt\n0.552153 0.104307 0.628660 Se\n0.447846 0.895694 0.128660 Se\n0.723585 0.447173 0.875385 Se\n0.276414 0.552828 0.375385 Se\n",
"nsites": 10,
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"density": 5.8508050095095046,
"density_atomic": 0.04415516924071919,
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"volume_molar": 13.638586067169863,
"formula_full": "Na4 Pt2 Se4",
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"spacegroup": 36
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{
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"created_at": "2022-09-04T14:36:18.790567Z",
"updated_at": "2022-09-04T14:36:18.790589Z",
"structure_string": "K2 Pd1 Cl6\n1.0\n5.925245 -0.000000 3.420942\n1.975082 5.586374 3.420942\n-0.000000 -0.000000 6.841883\nK Pd Cl\n2 1 6\ndirect\n0.749999 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Pd\n0.242005 0.757995 0.757995 Cl\n0.242005 0.757995 0.242005 Cl\n0.757995 0.242005 0.757995 Cl\n0.757995 0.242005 0.242005 Cl\n0.757995 0.757995 0.242005 Cl\n0.242005 0.242005 0.757995 Cl\n",
"nsites": 9,
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"elements": [
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"density": 2.913355747260067,
"density_atomic": 0.03974024552610405,
"volume": 226.4706692385229,
"volume_molar": 15.153758312953189,
"formula_full": "K2 Pd1 Cl6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
},
{
"id": "jvasp-21262",
"created_at": "2022-09-04T14:38:09.477803Z",
"updated_at": "2022-09-04T14:38:09.477816Z",
"structure_string": "Ti4 Cd4 O12\n1.0\n5.348210 0.000000 0.000000\n0.000000 5.470295 0.000000\n0.000000 0.000000 7.740806\nTi Cd O\n4 4 12\ndirect\n0.499279 0.007809 0.507229 Ti\n0.500721 0.992192 0.007229 Ti\n0.000721 0.507809 0.507229 Ti\n0.999279 0.492192 0.007229 Ti\n0.509466 0.461913 0.755611 Cd\n0.490534 0.538088 0.255611 Cd\n0.990534 0.961913 0.755611 Cd\n0.009466 0.038088 0.255611 Cd\n0.092481 0.529527 0.744007 O\n0.907519 0.470474 0.244007 O\n0.302997 0.308367 0.042409 O\n0.697003 0.691634 0.542409 O\n0.197003 0.808367 0.042409 O\n0.204667 0.783977 0.445846 O\n0.295333 0.283977 0.445846 O\n0.704667 0.716024 0.945846 O\n0.592481 0.970475 0.244007 O\n0.795333 0.216024 0.945846 O\n0.802997 0.191634 0.542409 O\n0.407519 0.029526 0.744007 O\n",
"nsites": 20,
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"Cd",
"O"
],
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"density_atomic": 0.0883129949532175,
"volume": 226.4672374727491,
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"formula_full": "Ti4 Cd4 O12",
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"formula_anonymous": "ABC3",
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"spacegroup": 33
},
{
"id": "jvasp-52455",
"created_at": "2022-09-04T14:38:16.421953Z",
"updated_at": "2022-09-04T14:38:16.421980Z",
"structure_string": "V2 Cu3 H6 O11\n1.0\n5.382653 2.936839 -0.567462\n-5.382653 2.936839 0.567462\n-0.155649 0.000000 7.178961\nV Cu H O\n2 3 6 11\ndirect\n0.502146 0.497855 0.748463 V\n0.497855 0.502146 0.251537 V\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.985477 0.276385 0.564072 H\n0.276385 0.985477 0.435927 H\n0.723616 0.014523 0.564072 H\n0.851685 0.148315 0.263156 H\n0.148315 0.851685 0.736844 H\n0.014523 0.723616 0.435927 H\n0.169235 0.830765 0.518863 O\n0.500000 0.500000 0.500000 O\n0.152819 0.847182 0.880519 O\n0.847182 0.152819 0.119481 O\n0.189380 0.336274 0.810149 O\n0.663727 0.810621 0.810149 O\n0.810621 0.663727 0.189851 O\n0.336274 0.189380 0.189851 O\n0.340779 0.659221 0.143949 O\n0.659221 0.340779 0.856051 O\n0.830765 0.169235 0.481136 O\n",
"nsites": 22,
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"H",
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"volume": 226.4510272722577,
"volume_molar": 6.198727097636976,
"formula_full": "V2 Cu3 H6 O11",
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{
"id": "jvasp-66125",
"created_at": "2022-09-04T14:36:19.273423Z",
"updated_at": "2022-09-04T14:36:19.273442Z",
"structure_string": "Ba4 Mn1 P1\n1.0\n0.000000 4.837748 4.837748\n4.837748 0.000000 4.837748\n4.837748 4.837748 -0.000000\nBa Mn P\n4 1 1\ndirect\n0.123294 0.625569 0.625569 Ba\n0.625569 0.625569 0.625569 Ba\n0.625569 0.123294 0.625569 Ba\n0.625569 0.625569 0.123294 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 P\n",
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"spacegroup": 216
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{
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"created_at": "2022-09-04T14:36:51.567389Z",
"updated_at": "2022-09-04T14:36:51.567417Z",
"structure_string": "Tb4 Ga4 O12\n1.0\n5.305843 0.000000 0.000000\n0.000000 5.600588 0.000000\n0.000000 0.000000 7.620040\nTb Ga O\n4 4 12\ndirect\n0.018485 0.067896 0.990926 Tb\n0.481515 0.567896 0.990926 Tb\n0.518484 0.432105 0.490926 Tb\n0.981515 0.932105 0.490926 Tb\n-0.000002 0.500000 0.240925 Ga\n0.500001 -0.000000 0.240925 Ga\n0.499998 0.000000 0.740925 Ga\n0.000002 0.500000 0.740925 Ga\n0.805232 0.196669 0.295501 O\n0.694768 0.696669 0.295501 O\n0.694766 0.696670 0.686351 O\n0.606680 0.965389 0.990927 O\n0.393319 0.034611 0.490927 O\n0.194767 0.803331 0.186351 O\n0.305232 0.303331 0.795501 O\n0.194768 0.803331 0.795501 O\n0.805233 0.196669 0.686351 O\n0.106680 0.534612 0.490927 O\n0.305233 0.303331 0.186351 O\n0.893319 0.465389 0.990927 O\n",
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"spacegroup": 62
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{
"id": "jvasp-66057",
"created_at": "2022-09-04T14:35:51.227150Z",
"updated_at": "2022-09-04T14:35:51.227180Z",
"structure_string": "Ba4 Mg1 Ir1\n1.0\n0.000000 4.837657 4.837657\n4.837657 0.000000 4.837657\n4.837657 4.837657 0.000000\nBa Mg Ir\n4 1 1\ndirect\n0.129381 0.623540 0.623540 Ba\n0.623540 0.623540 0.623540 Ba\n0.623540 0.129381 0.623540 Ba\n0.623540 0.623540 0.129381 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Ir\n",
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],
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"formula_full": "Ba4 Mg1 Ir1",
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},
{
"id": "jvasp-34899",
"created_at": "2022-09-04T14:38:18.413975Z",
"updated_at": "2022-09-04T14:38:18.413998Z",
"structure_string": "Si2 Bi4 O10\n1.0\n5.352504 0.000000 0.000000\n-0.000000 5.208560 -1.878727\n0.000000 -0.012189 8.125642\nSi Bi O\n2 4 10\ndirect\n0.704822 0.678872 -0.000000 Si\n0.204822 0.321128 -0.000000 Si\n0.247961 0.613160 0.669767 Bi\n0.747960 0.386839 0.330232 Bi\n0.747960 0.056607 0.669767 Bi\n0.247961 0.943393 0.330232 Bi\n0.481910 0.258315 0.503372 O\n0.981910 0.741685 0.496627 O\n0.981910 0.245058 0.503372 O\n0.481910 0.754942 0.496627 O\n0.679001 0.732465 0.816361 O\n0.179002 0.267535 0.183639 O\n0.479432 0.466311 -0.000000 O\n0.979431 0.533689 -0.000000 O\n0.679001 0.916103 0.183638 O\n0.179002 0.083896 0.816361 O\n",
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"spacegroup": 36
}
]
}